General Information of the Compound
| Compound ID |
CP0479814
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| Compound Name |
CHEMBL2113363
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| Formula |
C30H37ClFN3O3S
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| Molecular Weight |
574.162
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| Canonical SMILES |
Cl.Cc1ccc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C30H36FN3O3S.ClH/c1-20-3-10-26-27(11-12-28(31)29(26)32-20)30(35)33-24-7-4-21(5-8-24)13-16-34-17-14-22-6-9-25(38(2,36)37)19-23(22)15-18-34;/h3,6,9-12,19,21,24H,4-5,7-8,13-18H2,1-2H3,(H,33,35);1H/t21-,24-;
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| InChIKey |
PUBSQJWAOGDYQL-XDMBHIPYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor